CID 6433475

3-nitro-3-heptene

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCC/C=C(/CC)\[N+](=O)[O-]

InChI

InChI=1S/C7H13NO2/c1-3-5-6-7(4-2)8(9)10/h6H,3-5H2,1-2H3/b7-6-

InChIKey

GWDKXPLSCZJVHP-SREVYHEPSA-N

Compound name

(Z)-3-nitrohept-3-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 143.09464 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	144.10192	130.8
[M+Na]+	166.08386	141.6
[M+NH4]+	161.12846	138.5
[M+K]+	182.05780	138.5
[M-H]-	142.08736	131.4
[M+Na-2H]-	164.06931	134.0
[M]+	143.09409	132.2
[M]-	143.09519	132.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.